diclofenac   

GtoPdb Ligand ID: 2714

Synonyms: Cataflam® | CGP-45840B | GP-45840 | Voltaren® | Voltarol®
diclofenac is an approved drug (FDA (1988))
Compound class: Synthetic organic
Comment: Diclofenac is a nonsteroidal anti-inflammatory drug (NSAID)
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2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 49.33
Molecular weight 295.02
XLogP 3.9
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl
Isomeric SMILES OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl
InChI InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)
InChI Key DCOPUUMXTXDBNB-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
Ligand families/groups Non-steroidal anti-inflammatory ligands
Approved drug? Yes (FDA (1988))
IUPAC Name
2-[2-[(2,6-dichlorophenyl)amino]phenyl]acetic acid
International Nonproprietary Names
INN number INN
3270 diclofenac
Synonyms
Cataflam® | CGP-45840B | GP-45840 | Voltaren® | Voltarol®
Database Links
BindingDB Ligand 13066
BitterDB Ligand 942
CAS Registry No. 15307-86-5
ChEBI CHEBI:47381
ChEMBL Ligand CHEMBL139
DrugBank Ligand DB00586
DrugCentral Ligand 865
GtoPdb PubChem SID 135650177
PubChem CID 3033
RCSB PDB Ligand DIF
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Search UniChem for chemical match using the InChIKey DCOPUUMXTXDBNB-UHFFFAOYSA-N
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SynPHARM 8005 (in complex with Peroxisome proliferator-activated receptor-γ)
Wikipedia Diclofenac